(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane

C13H18OS — CID 10656676

IUPAC(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane
SMILESCC[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C13H18OS/c1-3-12-13(10(2)9-14-12)15-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10-,12+,13+/m0/s1
InChIKeyHMPKMXIBTDKAIF-CYZMBNFOSA-N
MW222.35 g/mol
LogP3.59
Rot. Bonds3

About (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane

(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane (PubChem CID 10656676) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane
PubChem CID10656676
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane
SMILESCC[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1
InChIInChI=1S/C13H18OS/c1-3-12-13(10(2)9-14-12)15-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10-,12+,13+/m0/s1
InChIKeyHMPKMXIBTDKAIF-CYZMBNFOSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylthio)tetrahydrofuran
CID 361776
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
1-Butoxy-2-phenylmercaptoethane
CID 271491
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
2-[(Phenylsulfanyl)methyl]tetrahydrofuran
CID 3337920
2-(Benzylsulfanylmethyl)oxolane
CID 126611605
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-Fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
CID 18729283

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane?
The IUPAC name of (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane (CID 10656676) is (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane.
What is the SMILES notation for (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane?
The canonical SMILES for (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane is CC[C@H]1OC[C@H](C)[C@H]1Sc1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane?
The InChIKey is HMPKMXIBTDKAIF-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H18OS/c1-3-12-13(10(2)9-14-12)15-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10-,12+,13+/m0/s1.
What are the key properties of (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane?
(2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane has a molecular weight of 222.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-ethyl-4-methyl-3-phenylsulfanyloxolane is sourced from PubChem (CID 10656676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).